CID 71300224

5-acetyl-3-iodo-6-methyl-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C8H8INO2
SMILES
CC1=C(C=C(C(=O)N1)I)C(=O)C
InChI
InChI=1S/C8H8INO2/c1-4-6(5(2)11)3-7(9)8(12)10-4/h3H,1-2H3,(H,10,12)
InChIKey
XVXNPHHEOBYYAE-UHFFFAOYSA-N
Compound name
5-acetyl-3-iodo-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.96 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.96728 139.5
[M+Na]+ 299.94922 142.5
[M-H]- 275.95272 134.5
[M+NH4]+ 294.99382 153.6
[M+K]+ 315.92316 145.8
[M+H-H2O]+ 259.95726 130.3
[M+HCOO]- 321.95820 156.2
[M+CH3COO]- 335.97385 186.6
[M+Na-2H]- 297.93467 132.1
[M]+ 276.95945 137.3
[M]- 276.96055 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.